(2S)-2-[[2-[2-amino-5-(cyclopropylmethoxy)phenyl]-2-methyliminoacetyl]amino]-3-hydroxypropanamide

C16H22N4O4 — CID 170418064

IUPAC(2S)-2-[[2-[2-amino-5-(cyclopropylmethoxy)phenyl]-2-methyliminoacetyl]amino]-3-hydroxypropanamide
SMILESC/N=C(\C(=O)N[C@@H](CO)C(N)=O)c1cc(OCC2CC2)ccc1N
InChIInChI=1S/C16H22N4O4/c1-19-14(16(23)20-13(7-21)15(18)22)11-6-10(4-5-12(11)17)24-8-9-2-3-9/h4-6,9,13,21H,2-3,7-8,17H2,1H3,(H2,18,22)(H,20,23)/b19-14-/t13-/m0/s1
InChIKeyAMXGPZCEKKOIHN-ISNHLSKGSA-N
MW334.38 g/mol
LogP-0.56
Rot. Bonds8

About (2S)-2-[[2-[2-amino-5-(cyclopropylmethoxy)phenyl]-2-methyliminoacetyl]amino]-3-hydroxypropanamide

(2S)-2-[[2-[2-amino-5-(cyclopropylmethoxy)phenyl]-2-methyliminoacetyl]amino]-3-hydroxypropanamide (PubChem CID 170418064) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is (2S)-2-[[2-[2-amino-5-(cyclopropylmethoxy)phenyl]-2-methyliminoacetyl]amino]-3-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-2-[[2-[2-amino-5-(cyclopropylmethoxy)phenyl]-2-methyliminoacetyl]amino]-3-hydroxypropanamide
PubChem CID170418064
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name(2S)-2-[[2-[2-amino-5-(cyclopropylmethoxy)phenyl]-2-methyliminoacetyl]amino]-3-hydroxypropanamide
SMILESC/N=C(\C(=O)N[C@@H](CO)C(N)=O)c1cc(OCC2CC2)ccc1N
InChIInChI=1S/C16H22N4O4/c1-19-14(16(23)20-13(7-21)15(18)22)11-6-10(4-5-12(11)17)24-8-9-2-3-9/h4-6,9,13,21H,2-3,7-8,17H2,1H3,(H2,18,22)(H,20,23)/b19-14-/t13-/m0/s1
InChIKeyAMXGPZCEKKOIHN-ISNHLSKGSA-N
XLogP-0.56
TPSA140.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2S)-2-[[2-[2-amino-5-(cyclopropylmethoxy)phenyl]-2-methyliminoacetyl]amino]-3-hydroxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[2-amino-5-(cyclopropylmethoxy)phenyl]-2-methyliminoacetyl]amino]-3-hydroxypropanamide?
The IUPAC name of (2S)-2-[[2-[2-amino-5-(cyclopropylmethoxy)phenyl]-2-methyliminoacetyl]amino]-3-hydroxypropanamide (CID 170418064) is (2S)-2-[[2-[2-amino-5-(cyclopropylmethoxy)phenyl]-2-methyliminoacetyl]amino]-3-hydroxypropanamide.
What is the SMILES notation for (2S)-2-[[2-[2-amino-5-(cyclopropylmethoxy)phenyl]-2-methyliminoacetyl]amino]-3-hydroxypropanamide?
The canonical SMILES for (2S)-2-[[2-[2-amino-5-(cyclopropylmethoxy)phenyl]-2-methyliminoacetyl]amino]-3-hydroxypropanamide is C/N=C(\C(=O)N[C@@H](CO)C(N)=O)c1cc(OCC2CC2)ccc1N.
What is the InChIKey of (2S)-2-[[2-[2-amino-5-(cyclopropylmethoxy)phenyl]-2-methyliminoacetyl]amino]-3-hydroxypropanamide?
The InChIKey is AMXGPZCEKKOIHN-ISNHLSKGSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-19-14(16(23)20-13(7-21)15(18)22)11-6-10(4-5-12(11)17)24-8-9-2-3-9/h4-6,9,13,21H,2-3,7-8,17H2,1H3,(H2,18,22)(H,20,23)/b19-14-/t13-/m0/s1.
What are the key properties of (2S)-2-[[2-[2-amino-5-(cyclopropylmethoxy)phenyl]-2-methyliminoacetyl]amino]-3-hydroxypropanamide?
(2S)-2-[[2-[2-amino-5-(cyclopropylmethoxy)phenyl]-2-methyliminoacetyl]amino]-3-hydroxypropanamide has a molecular weight of 334.38 g/mol, XLogP of -0.56, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[2-amino-5-(cyclopropylmethoxy)phenyl]-2-methyliminoacetyl]amino]-3-hydroxypropanamide is sourced from PubChem (CID 170418064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).